5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid

C16H23NO3 — CID 82260196

IUPAC5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid
SMILESCC(C)(C)C(=O)Nc1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)15(20)17-13-10-8-12(9-11-13)6-4-5-7-14(18)19/h8-11H,4-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyNWTDZQCFEWNQSK-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.47
Rot. Bonds6

About 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid

5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid (PubChem CID 82260196) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid
PubChem CID82260196
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid
SMILESCC(C)(C)C(=O)Nc1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C16H23NO3/c1-16(2,3)15(20)17-13-10-8-12(9-11-13)6-4-5-7-14(18)19/h8-11H,4-7H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyNWTDZQCFEWNQSK-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-acetamidophenyl)pentanoic acid
CID 82255364
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
7-[4-[(4-acetamidophenyl)methyl]phenyl]heptanoic acid
CID 15667466
5-[4-[(N'-methylcarbamimidoyl)amino]phenyl]pentanoic acid
CID 68912100
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
CID 46760394
5-[4-(2,2-dimethylpropanoylamino)-3-ethoxyphenyl]pentanoic acid
CID 95414294
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
10-(4-methylphenyl)decanoic acid
CID 54262490
7-(4-iodophenyl)heptanoic acid
CID 177483295
3-[4-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]phenyl]propanoic acid
CID 119252351
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid?
The IUPAC name of 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid (CID 82260196) is 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid.
What is the SMILES notation for 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid?
The canonical SMILES for 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid is CC(C)(C)C(=O)Nc1ccc(CCCCC(=O)O)cc1.
What is the InChIKey of 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid?
The InChIKey is NWTDZQCFEWNQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,3)15(20)17-13-10-8-12(9-11-13)6-4-5-7-14(18)19/h8-11H,4-7H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid?
5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid is sourced from PubChem (CID 82260196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).